[5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol

C12H13ClN2O2 — CID 114920233

IUPAC[5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol
SMILESCN(Cc1ccco1)c1cc(CO)c(Cl)cn1
InChIInChI=1S/C12H13ClN2O2/c1-15(7-10-3-2-4-17-10)12-5-9(8-16)11(13)6-14-12/h2-6,16H,7-8H2,1H3
InChIKeyFRFRRYRXMXLLIQ-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.46
Rot. Bonds4

About [5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol

[5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol (PubChem CID 114920233) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is [5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol
PubChem CID114920233
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name[5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol
SMILESCN(Cc1ccco1)c1cc(CO)c(Cl)cn1
InChIInChI=1S/C12H13ClN2O2/c1-15(7-10-3-2-4-17-10)12-5-9(8-16)11(13)6-14-12/h2-6,16H,7-8H2,1H3
InChIKeyFRFRRYRXMXLLIQ-UHFFFAOYSA-N
XLogP2.46
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 114925517
[6-[furan-2-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61256036
[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 114920211
[2-[furan-2-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61255618
[1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol
CID 106767996
[5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol
CID 114920252
[5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol
CID 114920412
[5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 114920404
[5-chloro-2-(diethylamino)-4-pyridinyl]methanol
CID 114920176
4-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 114926248
6-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylpyridazin-3-amine
CID 62301068
2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
CID 81149232

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol (CID 114920233) is [5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol is CN(Cc1ccco1)c1cc(CO)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol?
The InChIKey is FRFRRYRXMXLLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-15(7-10-3-2-4-17-10)12-5-9(8-16)11(13)6-14-12/h2-6,16H,7-8H2,1H3.
What are the key properties of [5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol?
[5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol has a molecular weight of 252.70 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol is sourced from PubChem (CID 114920233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).